PDB ligand accession: 2RC
DrugBank: DB12010
InChI Key: GKDRMWXFWHEQQT-UHFFFAOYSA-N
SMILES: CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
O15530 | Download | Predicted | O15530_F1_nD1 O15530_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp PH domain-like |
1H1W | Predicted | e1h1wA1 | ||
1OKY | Predicted | e1okyA1 | ||
1OKZ | Predicted | e1okzA1 | ||
1UU3 | Predicted | e1uu3A1 | ||
1UU7 | Predicted | e1uu7A1 | ||
1UU8 | Predicted | e1uu8A1 | ||
1UU9 | Predicted | e1uu9A1 | ||
1UVR | Predicted | e1uvrA1 | ||
1W1D | Predicted | e1w1dA1 | ||
1W1G | Predicted | e1w1gA1 | ||
1W1H | Predicted | e1w1hA1 e1w1hB1 e1w1hC1 e1w1hD1 | ||
1Z5M | Predicted | e1z5mA1 | ||
2BIY | Predicted | e2biyA1 | ||
2PE0 | Predicted | e2pe0A1 | ||
2PE1 | Predicted | e2pe1A1 | ||
2PE2 | Predicted | e2pe2A1 | ||
2R7B | Predicted | e2r7bA1 | ||
2VKI | Predicted | e2vkiA1 | ||
2XCH | Predicted | e2xchA1 | ||
2XCK | Predicted | e2xckA1 | ||
3H9O | Predicted | e3h9oA1 | ||
3HRC | Predicted | e3hrcA1 | ||
3HRF | Predicted | e3hrfA1 | ||
3ION | Predicted | e3ionA1 | ||
3IOP | Predicted | e3iopA1 | ||
3NAX | Predicted | e3naxA1 | ||
3NAY | Predicted | e3nayA1 e3nayB1 | ||
3NUN | Predicted | e3nunA1 | ||
3NUS | Predicted | e3nusA1 | ||
3NUU | Predicted | e3nuuA1 | ||
3NUY | Predicted | e3nuyA1 | ||
3ORX | Predicted | e3orxA1 e3orxE1 e3orxF1 e3orxG1 e3orxH1 e3orxB1 e3orxC1 e3orxD1 | ||
3ORZ | Predicted | e3orzB1 e3orzD1 e3orzA1 e3orzC1 | ||
3OTU | Predicted | e3otuA1 | ||
3PWY | Predicted | e3pwyA1 | ||
3QC4 | Predicted | e3qc4A1 e3qc4B1 | ||
3QCQ | Predicted | e3qcqA1 | ||
3QCS | Predicted | e3qcsA1 | ||
3QCX | Predicted | e3qcxA1 | ||
3QCY | Predicted | e3qcyA1 | ||
3QD0 | Predicted | e3qd0A1 | ||
3QD3 | Predicted | e3qd3A1 | ||
3QD4 | Predicted | e3qd4A1 | ||
3RCJ | Predicted | e3rcjA1 | ||
3RWP | Predicted | e3rwpA1 | ||
3RWQ | Predicted | e3rwqA1 | ||
3SC1 | Predicted | e3sc1A1 | ||
4A06 | Predicted | e4a06A1 | ||
4A07 | Predicted | e4a07A1 | ||
4AW0 | Predicted | e4aw0A2 | ||
4AW1 | Predicted | e4aw1A2 | ||
4CT1 | Predicted | e4ct1A1 | ||
4CT2 | Predicted | e4ct2A1 | ||
4RQK | Predicted | e4rqkA1 | ||
4RQV | Predicted | e4rqvA1 | ||
4RRV | Predicted | e4rrvA1 | ||
4XX9 | Predicted | e4xx9A1 | ||
5ACK | Predicted | e5ackA1 | ||
5HKM | Predicted | e5hkmA1 | ||
5HNG | Predicted | e5hngA1 | ||
5HO7 | Predicted | e5ho7A1 | ||
5HO8 | Predicted | e5ho8A1 | ||
5LVL | Predicted | e5lvlA1 | ||
5LVM | Predicted | e5lvmA1 | ||
5LVN | Predicted | e5lvnA1 | ||
5LVO | Predicted | e5lvoA1 | ||
5LVP | Predicted | e5lvpA1 e5lvpB1 e5lvpC1 e5lvpD1 | ||
5MRD | Predicted | e5mrdA1 |